SCHEMBL4597730

SCHEMBL4597730

CC(C)(C)OC(=O)N[C@@H](CNC1CCCC1)c1ccsc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
CACNA1B Q00975 6/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
PTPRB P23467 1/20 0.38
KDM4E B2RXH2 1/20 0.38
EPHX1 P07099 1/20 0.38
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BCHE P06276 1/20 0.36
GAA P10253 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1096245 0.79 CTSS (0.48) CTSSCTSKPTPRB
SCHEMBL4789660 0.79 CTSS (0.48) CTSSCTSKPTPRB
SCHEMBL4600416 0.79 CTSS (0.48) CTSSCTSKPTPRB
SCHEMBL5576653 0.78 BCHE (0.45) CACNA1BKDM4EBCHE
SCHEMBL4596762 0.78 CTSS (0.47) CTSSCTSKLMNAPTPRBKMT2A
SCHEMBL14923678 0.78 CTSS (0.47) CTSSCTSKLMNAPTPRBKMT2A
SCHEMBL14923679 0.77 CTSS (0.46) CTSSCTSKPTPRB
SCHEMBL20281032 0.77 CTSS (0.46) CTSSCTSKPTPRB
SCHEMBL1105001 0.77 CTSK (0.49) CTSSCTSKPTPRBKMT2A
SCHEMBL1095180 0.77 CTSK (0.46) CTSSCTSKPTPRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 CTSS 2298/4885CTSK 2622/4885CACNA1B 4433/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.